1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one

C24H31N5O2 — CID 50796325

IUPAC1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCc2c(OC)nc3c(c(C)nn3-c3ccccc3)c2C)CC1
InChIInChI=1S/C24H31N5O2/c1-5-27-13-15-28(16-14-27)21(30)12-11-20-17(2)22-18(3)26-29(19-9-7-6-8-10-19)23(22)25-24(20)31-4/h6-10H,5,11-16H2,1-4H3
InChIKeyXWTLJKDDRWTQOM-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.14
Rot. Bonds6

About 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one

1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one (PubChem CID 50796325) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
PubChem CID50796325
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCc2c(OC)nc3c(c(C)nn3-c3ccccc3)c2C)CC1
InChIInChI=1S/C24H31N5O2/c1-5-27-13-15-28(16-14-27)21(30)12-11-20-17(2)22-18(3)26-29(19-9-7-6-8-10-19)23(22)25-24(20)31-4/h6-10H,5,11-16H2,1-4H3
InChIKeyXWTLJKDDRWTQOM-UHFFFAOYSA-N
XLogP3.14
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796295
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 50796311
3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 50796191
1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 23602926
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide
CID 50796242
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 20863650
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(3-methoxyphenyl)propanamide
CID 50796406
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 94079742
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 50796369
N-[2-(1H-indol-3-yl)ethyl]-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796302
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796301
N-cyclohexyl-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796215

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one (CID 50796325) is 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one is CCN1CCN(C(=O)CCc2c(OC)nc3c(c(C)nn3-c3ccccc3)c2C)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one?
The InChIKey is XWTLJKDDRWTQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-5-27-13-15-28(16-14-27)21(30)12-11-20-17(2)22-18(3)26-29(19-9-7-6-8-10-19)23(22)25-24(20)31-4/h6-10H,5,11-16H2,1-4H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one?
1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one has a molecular weight of 421.55 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 50796325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).